N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide

C7H4ClN5OS — CID 115599353

IUPACN-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)c1cnns1
InChIInChI=1S/C7H4ClN5OS/c8-5-2-9-3-6(11-5)12-7(14)4-1-10-13-15-4/h1-3H,(H,11,12,14)
InChIKeyBLEIIKOVUVBBOD-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.23
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide

N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide (PubChem CID 115599353) has the molecular formula C7H4ClN5OS and a molecular weight of 241.66 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide
PubChem CID115599353
Molecular FormulaC7H4ClN5OS
Molecular Weight241.66 g/mol
Exact Mass240.98
IUPAC NameN-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)c1cnns1
InChIInChI=1S/C7H4ClN5OS/c8-5-2-9-3-6(11-5)12-7(14)4-1-10-13-15-4/h1-3H,(H,11,12,14)
InChIKeyBLEIIKOVUVBBOD-UHFFFAOYSA-N
XLogP1.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide (CID 115599353) is N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide is O=C(Nc1cncc(Cl)n1)c1cnns1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide?
The InChIKey is BLEIIKOVUVBBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5OS/c8-5-2-9-3-6(11-5)12-7(14)4-1-10-13-15-4/h1-3H,(H,11,12,14).
What are the key properties of N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide?
N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide has a molecular weight of 241.66 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 115599353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).